NY 4138
TL;DR: NY 4138 (CAS 83891-38-7) is a chemical compound with molecular formula C9H7BrN2OS2 and molecular weight 301.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-(thiophen-2-ylmethylsulfinyl)pyrimidine
Also Known As: NY 4138, 5-Bromo-2-((2-thienylmethyl)sulfinyl)pyrimidine, 2-(2thenyl)sulfinyl-5-bromopyrimidine, 5-bromo-2-(thiophen-2-ylmethylsulfinyl)pyrimidine, 2-(2-Thienylmethyl)sulfinyl-5-bromopyrimidine
| Molecular Formula | C9H7BrN2OS2 |
|---|---|
| Molecular Weight | 301.92 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 90.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.91833 |
| Heavy Atoms | 15 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 83891-38-7 |
|---|---|
| SMILES | C1=CSC(=C1)CS(=O)C2=NC=C(C=N2)Br |
| InChIKey | YFCSMQKDQMKSCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NY 4138 (CAS 83891-38-7), with molecular formula C9H7BrN2OS2 and molecular weight 301.92 g/mol. IUPAC: 5-bromo-2-(thiophen-2-ylmethylsulfinyl)pyrimidine.
Chemical Property Profile of NY 4138
Property Insights of NY 4138
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NY 4138. The TPSA of 90.3 Ų falls within the moderate polarity range, balancing permeability and solubility for NY 4138. Following Lipinski's Rule of Five, NY 4138 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NY 4138?
The CAS number of NY 4138 is 83891-38-7.
What is the molecular formula of NY 4138?
The molecular formula of NY 4138 is C9H7BrN2OS2.
What is the molecular weight of NY 4138?
The molecular weight of NY 4138 is 301.92 g/mol.
Where can I buy NY 4138?
You can request a quote for NY 4138 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NY 4138?
Yes, KEHONG BIO provides custom synthesis services for NY 4138 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.